SCHEMBL107717

SCHEMBL107717

C/C=C\c1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CCNC[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.37
HTR2B P41595 3/20 0.34
HTR2A P28223 2/20 0.34
RORC P51449 8/20 0.33
SLC6A4 P31645 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 1/20 0.32
MITF O75030 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
NR1I2 O75469 1/20 0.32
SPAST Q9UBP0 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL107718 1.00 HTR2C (0.37) HTR2CHTR2BHTR2ARORCSLC6A4
SCHEMBL103610 1.00 HTR2C (0.37) HTR2CHTR2BHTR2ARORCSLC6A4
SCHEMBL138524 0.87 HTR1A (0.41) RORCSLC6A4SLC6A2SLC6A3NR1I2
SCHEMBL138523 0.87 HTR1A (0.41) RORCSLC6A4SLC6A2SLC6A3NR1I2
SCHEMBL3598995 0.86 SIGMAR1 (0.37) HTR2CHTR2BRORCSLC6A4NR1I2
SCHEMBL3601264 0.86 SIGMAR1 (0.37) HTR2CHTR2BRORCSLC6A4NR1I2
SCHEMBL106665 0.86 SIGMAR1 (0.37) HTR2CHTR2BRORCSLC6A4NR1I2
SCHEMBL104569 0.86 HTR2C (0.32) HTR2CHTR2BHTR2AKCNH2
SCHEMBL104568 0.86 HTR2C (0.32) HTR2CHTR2BHTR2AKCNH2
SCHEMBL106649 0.79 PDK1 (0.38) RORC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 HTR2C 2623/4885HTR2B 2066/4885HTR2A 2840/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.